ethyl (4S)-2-azanyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4S)-2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-4-(6-nitro-1,3-benzodioxol-5-yl)-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C19H18N2O8 MolecularWeight: 402.35482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)CCC2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@@H]1C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)CCC2)N

InChI

InChI=1S/C19H18N2O8/c1-2-26-19(23)17-15(16-11(22)4-3-5-12(16)29-18(17)20)9-6-13-14(28-8-27-13)7-10(9)21(24)25/h6-7,15H,2-5,8,20H2,1H3/t15-/m0/s1